Geometry & MOs

Info

ID:	121832
PubChem CID:	50783173
Reduced:	ClON6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	384.146537
ΔH_f, kcal/mol:	42.78
Dipole, Da:	11.12
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-ethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1CCN(CC1)C2=NN3C(=NN=C3C4=CC=C(C=C4)Cl)C=C2

DOS

IR

Vibrations